(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine

C18H39N3 — CID 45482209

IUPAC(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC1CCCC1
InChIInChI=1S/C18H39N3/c1-4-8-17(14-19-3)21-15-18(9-5-2)20-13-12-16-10-6-7-11-16/h16-21H,4-15H2,1-3H3/t17-,18-/m1/s1
InChIKeySONVDUXBUZEESD-QZTJIDSGSA-N
MW297.53 g/mol
LogP3.30
Rot. Bonds13

About (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine

(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine (PubChem CID 45482209) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine
PubChem CID45482209
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC1CCCC1
InChIInChI=1S/C18H39N3/c1-4-8-17(14-19-3)21-15-18(9-5-2)20-13-12-16-10-6-7-11-16/h16-21H,4-15H2,1-3H3/t17-,18-/m1/s1
InChIKeySONVDUXBUZEESD-QZTJIDSGSA-N
XLogP3.30
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine (CID 45482209) is (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine is CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CCCC1.
What is the InChIKey of (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The InChIKey is SONVDUXBUZEESD-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H39N3/c1-4-8-17(14-19-3)21-15-18(9-5-2)20-13-12-16-10-6-7-11-16/h16-21H,4-15H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
(2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.30, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2R)-2-(2-cyclopentylethylamino)pentyl]-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 45482209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).